2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C14H8Cl3F3N2O — CID 631511

IUPAC2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1c(C(F)(F)F)ccnc1Cl
InChIInChI=1S/C14H8Cl3F3N2O/c15-8-2-1-7(10(16)5-8)6-22-13(23)11-9(14(18,19)20)3-4-21-12(11)17/h1-5H,6H2,(H,22,23)
InChIKeyRCYBRGIWNJVFIL-UHFFFAOYSA-N
MW383.58 g/mol
LogP4.99
Rot. Bonds3

About 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 631511) has the molecular formula C14H8Cl3F3N2O and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID631511
Molecular FormulaC14H8Cl3F3N2O
Molecular Weight383.58 g/mol
Exact Mass381.97
IUPAC Name2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1c(C(F)(F)F)ccnc1Cl
InChIInChI=1S/C14H8Cl3F3N2O/c15-8-2-1-7(10(16)5-8)6-22-13(23)11-9(14(18,19)20)3-4-21-12(11)17/h1-5H,6H2,(H,22,23)
InChIKeyRCYBRGIWNJVFIL-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-ethylsulfanyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727235
3-chloro-N-[(2,4-dichlorophenyl)methyl]pyridazine-4-carboxamide
CID 22992257
5-chloro-N-[(2,4-dichlorophenyl)methyl]pyrazine-2-carboxamide
CID 71655570
4-chloro-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9268867
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 89310617
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118802456
N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
CID 25094350
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(2,4-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147414
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 631511) is 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1c(C(F)(F)F)ccnc1Cl.
What is the InChIKey of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is RCYBRGIWNJVFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-7(10(16)5-8)6-22-13(23)11-9(14(18,19)20)3-4-21-12(11)17/h1-5H,6H2,(H,22,23).
What are the key properties of 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 383.58 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 631511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).